2-[4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]piperidin-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]piperidin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-1-piperidyl]-N-phenyl-acetamide CAS Name: 2-[4-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-1-piperidinyl]-N-phenylacetamide IUPAC Name: 2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]piperidin-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]piperidino]-N-phenyl-acetamide Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2CCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O2S/c1-16-13-17(23)7-8-20(16)29-15-22(28)25-19-9-11-26(12-10-19)14-21(27)24-18-5-3-2-4-6-18/h2-8,13,19H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)